⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL28104228 | 0.96 | — | — | |
| SCHEMBL2120 | 0.96 | — | — | |
| SCHEMBL28091377 | 0.93 | — | — | |
| SCHEMBL4563509 | 0.93 | — | — | |
| SCHEMBL27859688 | 0.93 | — | — | |
| SCHEMBL28256971 | 0.93 | CA1 (0.42) | — | |
| SCHEMBL6441177 | 0.93 | — | — | |
| SCHEMBL27563321 | 0.93 | — | — | |
| SCHEMBL27456203 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28148980 | 0.93 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106062011-B | Containing the method for zinc catalyst, preparation containing zinc catalyst and include the composition containing zinc catalyst | 道康宁公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-106062011-A | Zinc containing catalysts, methods for preparing the catalysts, and compositions containing the catalysts | 道康宁公司 | 2016-10-26 | — | — | CN | disclosed |